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generateReverseRateCoefficient cannot handle PDepArrhenius with MultiArrhenius rates #797

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mliu49 opened this issue Oct 26, 2016 · 2 comments
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@mliu49
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mliu49 commented Oct 26, 2016

This was discovered while using the Plot Kinetics tool on the website.

The input included pressure dependent rates in PLOG format, but with two sets of Arrhenius parameters at each pressure. RMG parsed this as a PDepArrhenius object with a MultiArrhenius rate at each pressure. However, the generateReverseRateCoefficient function assumes that PDepArrhenius objects only have Arrhenius rates for each pressure, and errors while trying to calculate the reverse rate.

Questions:

  • Is this the correct way for RMG to be interpreting the rate?
  • If so, is it ok to modify generateReverseRateCoefficient to recognize such a form?
@rwest
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rwest commented Oct 26, 2016

See PR #329 which fixed issue #147 which has a detailed write-up. I think after Connie's fix the answer to you first bullet point is yes, and thus it'd be helpful if we could reverse such rates, somehow.

@mliu49
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mliu49 commented Jul 25, 2019

Fixed by #1659

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